methyl (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-but-2-enoate CAS Name: (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(1,3-benzodioxol-5-ylamino)-4-oxobut-2-enoate Traditional Name: (E)-4-(1,3-benzodioxol-5-ylamino)-4-keto-but-2-enoic acid methyl ester Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)/C=C/C(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H11NO5/c1-16-12(15)5-4-11(14)13-8-2-3-9-10(6-8)18-7-17-9/h2-6H,7H2,1H3,(H,13,14)/b5-4+